MMsINC Database Search


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MMsINC code: MMs00352947

Type: Neutral
Formula: C₁₈H₂₁FN₂O₂

SMILES:

Fc1ccc(cc1)CN(CCOC)C(=O)Nc1ccc(cc1)C

InChI:

InChI=1/C18H21FN2O2/c1-14-3-9-17(10-4-14)20-18(22)21(11-12-23-2)13-15-5-7-16(19)8-6-15/h3-10H,11-13H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.3742 kcal/mol

Physical Properties
Molecular Weight: 316.376 g/mol	logS: -4.00164	SlogP: 4.08102	Reactive groups: 0

Topological Properties
Globularity: 0.108024	Sterimol/B1: 3.31027	Sterimol/B2: 4.27593	Sterimol/B3: 5.56012
Sterimol/B4: 7.35839	Sterimol/L: 15.3712

Surface and Volume Properties
Accessible surface: 589.434	Positive charged surface: 390.988	Negative charged surface: 198.446	Volume: 313.875
Hydrophobic surface: 562.395	Hydrophilic surface: 27.039

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.